MMsINC Database Search


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MMsINC code: MMs01208348

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cc(NC(=O)C2CC2)ccc1)C

InChI:

InChI=1/C18H16N2O2/c1-11-5-8-15-16(9-11)22-18(20-15)13-3-2-4-14(10-13)19-17(21)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4788 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -5.68542	SlogP: 4.15172	Reactive groups: 0

Topological Properties
Globularity: 0.0160034	Sterimol/B1: 2.76445	Sterimol/B2: 2.92026	Sterimol/B3: 3.76704
Sterimol/B4: 6.97496	Sterimol/L: 16.4885

Surface and Volume Properties
Accessible surface: 564.322	Positive charged surface: 338.375	Negative charged surface: 225.947	Volume: 289.375
Hydrophobic surface: 442.194	Hydrophilic surface: 122.128

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.